Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1726)
Drug Name
Zaltoprofen
Synonyms
Zaltoprofen (unspecified); Zaltoprofene; Zaltoprofeno; Zaltoprofenum; CN 100; CN-100; Soleton; zaltoprofen; (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid; 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid; 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid; 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid; 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid; 74711-43-6; 89482-00-8; AK-77321; C17H14O3S; EINECS 277-973-5; NCGC00183878-01; Peon
Indication Anaesthesia [ICD11: 8E22] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 298.4 Topological Polar Surface Area 79.7
Heavy Atom Count 21 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5720
ChEBI ID
CHEBI:32306
CAS Number
74711-43-6
Formula
C17H14O3S
Canonical SMILES
CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O
InChI
1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
InChIKey
MUXFZBHBYYYLTH-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
10-OH-zaltoprofen (M3) DM016291
69583459
Oxidation - Hydroxylation 1 [2]
Zaltoprofen acyl glucuronide DM017944 N. A. Conjugation - Glucuronidation 1 [2]
Zaltoprofen S-oxide (M2) DM016758
154699512
Oxidation - Oxidation 1 [2]
10-OH-zaltoprofen S-oxide (M5) DM017943 N. A. Oxidation - Oxidation 2 [2]
10-OH-zaltoprofen S-oxide (M5) DM017943 N. A. Oxidation - Hydroxylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009644 Zaltoprofen Zaltoprofen S-oxide (M2) Oxidation - Oxidation Unclear [2]
MR009646 Zaltoprofen 10-OH-zaltoprofen (M3) Oxidation - Hydroxylation CYP2C9 [2]
MR009648 Zaltoprofen Zaltoprofen acyl glucuronide Conjugation - Glucuronidation UGT2B7 [2]
MR009647 10-OH-zaltoprofen (M3) 10-OH-zaltoprofen S-oxide (M5) Oxidation - Oxidation Unclear [2]
MR009645 Zaltoprofen S-oxide (M2) 10-OH-zaltoprofen S-oxide (M5) Oxidation - Hydroxylation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Prostaglandin G/H synthase 1 (COX-1) DME0091 Homo sapiens
PGH1_HUMAN
1.14.99.1
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 Zaltoprofen launched in japan.
2 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.

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